[4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate

Systemtic Name: [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate Openeye Name: [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-thiazol-4-yl]phenyl] benzoate CAS Name: benzoic acid [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-thiazolyl]phenyl] ester IUPAC Name: [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[(2E)-2-brosylimino-3-cyclohexyl-4-thiazolin-4-yl]phenyl] ester Formula: C28H25BrN2O4S2 MolecularWeight: 597.5431

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CSC2=NS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N\2C(=CS/C2=N/S(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H25BrN2O4S2/c29-22-13-17-25(18-14-22)37(33,34)30-28-31(23-9-5-2-6-10-23)26(19-36-28)20-11-15-24(16-12-20)35-27(32)21-7-3-1-4-8-21/h1,3-4,7-8,11-19,23H,2,5-6,9-10H2/b30-28+